SCHEMBL19155003

SCHEMBL19155003

Cn1cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4[C@H]5C[C@@H]([C@H]6C[C@@H]56)N4C(=O)OC(C)(C)C)c(F)c3)cc2n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.68
▸ CTSK P43235 13/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16064100 1.00 CTSC (0.68) CTSCCTSK
SCHEMBL21966261 0.91 CTSC (0.60) CTSCCTSK
SCHEMBL21966260 0.91 CTSC (0.60) CTSCCTSK
SCHEMBL21076283 0.89 CTSC (0.62) CTSCCTSK
SCHEMBL16064043 0.87 CTSC (0.67) CTSCCTSK
SCHEMBL16064299 0.86 CTSC (0.61) CTSCCTSK
SCHEMBL16064147 0.85 CTSC (0.68) CTSCCTSK
SCHEMBL16064466 0.85 CTSC (0.63) CTSCCTSK
SCHEMBL16075191 0.85 CTSC (0.62) CTSCCTSK
SCHEMBL16064165 0.84 CTSC (0.67) CTSCCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9713606-B2 Methods for treating pulmonary emphysema using substituted 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-07-25 — — US disclosed
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